Drug Information

Drug ID:  NPD1608
Drug Name:  Fenoprofen
Molecular Formula:  C15H14O3
Canonical SMILES:  OC(=O)C(c1cccc(c1)Oc1ccccc1)C
Standard InCHI:  InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
Standard InCHIKey:  RDJGLLICXDHJDY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1608

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9138 NPC322358
High Similarity 0.8644 NPC109241
High Similarity 0.856 NPC111088
High Similarity 0.85 NPC51345
Intermediate Similarity 0.845 NPC109778
Intermediate Similarity 0.8409 NPC475011
Intermediate Similarity 0.84 NPC291189
Intermediate Similarity 0.84 NPC69403
Intermediate Similarity 0.8333 NPC213122
Intermediate Similarity 0.8319 NPC233238
Intermediate Similarity 0.8305 NPC234639
Intermediate Similarity 0.8295 NPC2401
Intermediate Similarity 0.8295 NPC2596
Intermediate Similarity 0.8281 NPC475236
Intermediate Similarity 0.8268 NPC140521
Intermediate Similarity 0.8268 NPC221798
Intermediate Similarity 0.8226 NPC234956
Intermediate Similarity 0.8226 NPC61779
Intermediate Similarity 0.8222 NPC475028
Intermediate Similarity 0.8222 NPC476025
Intermediate Similarity 0.8217 NPC281020
Intermediate Similarity 0.8205 NPC317592
Intermediate Similarity 0.8203 NPC249836
Intermediate Similarity 0.8175 NPC220106
Intermediate Similarity 0.8168 NPC2989
Intermediate Similarity 0.8168 NPC327457
Intermediate Similarity 0.8168 NPC86774
Intermediate Similarity 0.8168 NPC475102
Intermediate Similarity 0.8162 NPC475012
Intermediate Similarity 0.8151 NPC259554
Intermediate Similarity 0.8134 NPC298900
Intermediate Similarity 0.8134 NPC476018
Intermediate Similarity 0.8134 NPC475029
Intermediate Similarity 0.8125 NPC78446
Intermediate Similarity 0.8125 NPC107846
Intermediate Similarity 0.8116 NPC105648
Intermediate Similarity 0.8102 NPC254994
Intermediate Similarity 0.8102 NPC475063
Intermediate Similarity 0.8102 NPC475044
Intermediate Similarity 0.8102 NPC326065
Intermediate Similarity 0.8099 NPC280760
Intermediate Similarity 0.8085 NPC142863
Intermediate Similarity 0.808 NPC264976
Intermediate Similarity 0.8071 NPC131766
Intermediate Similarity 0.8071 NPC134621
Intermediate Similarity 0.8071 NPC32470
Intermediate Similarity 0.8071 NPC29577
Intermediate Similarity 0.8065 NPC240664
Intermediate Similarity 0.8062 NPC165556
Intermediate Similarity 0.8058 NPC473090
Intermediate Similarity 0.8051 NPC1065
Intermediate Similarity 0.8049 NPC220540
Intermediate Similarity 0.803 NPC473271
Intermediate Similarity 0.8016 NPC474874
Intermediate Similarity 0.8014 NPC237208
Intermediate Similarity 0.8014 NPC286038
Intermediate Similarity 0.8014 NPC267509
Intermediate Similarity 0.8 NPC205502
Intermediate Similarity 0.8 NPC66404
Intermediate Similarity 0.8 NPC95123
Intermediate Similarity 0.7986 NPC250755
Intermediate Similarity 0.7986 NPC24075
Intermediate Similarity 0.7984 NPC89630
Intermediate Similarity 0.7984 NPC470860
Intermediate Similarity 0.7967 NPC235250
Intermediate Similarity 0.7958 NPC66991
Intermediate Similarity 0.7956 NPC62735
Intermediate Similarity 0.7956 NPC475005
Intermediate Similarity 0.7956 NPC474943
Intermediate Similarity 0.7955 NPC241354
Intermediate Similarity 0.7943 NPC287275
Intermediate Similarity 0.7941 NPC163029
Intermediate Similarity 0.7939 NPC223807
Intermediate Similarity 0.7939 NPC37512
Intermediate Similarity 0.7929 NPC1534
Intermediate Similarity 0.7926 NPC176814
Intermediate Similarity 0.7926 NPC311339
Intermediate Similarity 0.7926 NPC68779
Intermediate Similarity 0.7926 NPC300776
Intermediate Similarity 0.7926 NPC5310
Intermediate Similarity 0.7926 NPC4982
Intermediate Similarity 0.7923 NPC3221
Intermediate Similarity 0.792 NPC76308
Intermediate Similarity 0.792 NPC471498
Intermediate Similarity 0.792 NPC471503
Intermediate Similarity 0.792 NPC325295
Intermediate Similarity 0.7917 NPC470107
Intermediate Similarity 0.7914 NPC253722
Intermediate Similarity 0.7914 NPC253481
Intermediate Similarity 0.7914 NPC31751
Intermediate Similarity 0.7914 NPC275734
Intermediate Similarity 0.791 NPC307289
Intermediate Similarity 0.7907 NPC320287
Intermediate Similarity 0.7903 NPC167934
Intermediate Similarity 0.7902 NPC105415
Intermediate Similarity 0.7899 NPC473988
Intermediate Similarity 0.7899 NPC475045
Intermediate Similarity 0.7895 NPC285776
Intermediate Similarity 0.7887 NPC154217
Intermediate Similarity 0.7879 NPC226661
Intermediate Similarity 0.7879 NPC79332
Intermediate Similarity 0.7872 NPC471305
Intermediate Similarity 0.7872 NPC260152
Intermediate Similarity 0.7869 NPC255068
Intermediate Similarity 0.7868 NPC211386
Intermediate Similarity 0.7868 NPC470844
Intermediate Similarity 0.7857 NPC27633
Intermediate Similarity 0.7857 NPC328694
Intermediate Similarity 0.7857 NPC106920
Intermediate Similarity 0.7857 NPC94298
Intermediate Similarity 0.7857 NPC293424
Intermediate Similarity 0.7857 NPC273657
Intermediate Similarity 0.7852 NPC129889
Intermediate Similarity 0.7852 NPC307006
Intermediate Similarity 0.7847 NPC291049
Intermediate Similarity 0.7847 NPC233267
Intermediate Similarity 0.7847 NPC6923
Intermediate Similarity 0.7846 NPC85565
Intermediate Similarity 0.7846 NPC145134
Intermediate Similarity 0.7846 NPC474237
Intermediate Similarity 0.7846 NPC229113
Intermediate Similarity 0.7842 NPC100675
Intermediate Similarity 0.7842 NPC316480
Intermediate Similarity 0.7842 NPC155552
Intermediate Similarity 0.784 NPC316062
Intermediate Similarity 0.784 NPC131192
Intermediate Similarity 0.7836 NPC470831
Intermediate Similarity 0.7836 NPC301717
Intermediate Similarity 0.7836 NPC214702
Intermediate Similarity 0.7832 NPC472969
Intermediate Similarity 0.7832 NPC12305
Intermediate Similarity 0.7829 NPC46634
Intermediate Similarity 0.7826 NPC103001
Intermediate Similarity 0.7826 NPC265335
Intermediate Similarity 0.7826 NPC228661
Intermediate Similarity 0.7823 NPC22610
Intermediate Similarity 0.7823 NPC276737
Intermediate Similarity 0.782 NPC94810
Intermediate Similarity 0.7817 NPC262282
Intermediate Similarity 0.7817 NPC1886
Intermediate Similarity 0.7817 NPC196137
Intermediate Similarity 0.7815 NPC238115
Intermediate Similarity 0.781 NPC242712
Intermediate Similarity 0.781 NPC223616
Intermediate Similarity 0.7803 NPC22783
Intermediate Similarity 0.7803 NPC121104
Intermediate Similarity 0.7801 NPC310340
Intermediate Similarity 0.7801 NPC202981
Intermediate Similarity 0.7795 NPC472593
Intermediate Similarity 0.7794 NPC34456
Intermediate Similarity 0.7793 NPC307780
Intermediate Similarity 0.7793 NPC295036
Intermediate Similarity 0.7793 NPC158866
Intermediate Similarity 0.7793 NPC309979
Intermediate Similarity 0.7793 NPC140133
Intermediate Similarity 0.7793 NPC194379
Intermediate Similarity 0.7793 NPC60413
Intermediate Similarity 0.7787 NPC231251
Intermediate Similarity 0.7787 NPC25067
Intermediate Similarity 0.7787 NPC303521
Intermediate Similarity 0.7787 NPC88868
Intermediate Similarity 0.7786 NPC49938
Intermediate Similarity 0.7786 NPC184053
Intermediate Similarity 0.7786 NPC88403
Intermediate Similarity 0.7786 NPC164599
Intermediate Similarity 0.7786 NPC173608
Intermediate Similarity 0.7778 NPC50521
Intermediate Similarity 0.7778 NPC244816
Intermediate Similarity 0.7778 NPC107636
Intermediate Similarity 0.7778 NPC98809
Intermediate Similarity 0.7778 NPC37139
Intermediate Similarity 0.7778 NPC221549
Intermediate Similarity 0.7778 NPC469954
Intermediate Similarity 0.7778 NPC476394
Intermediate Similarity 0.7778 NPC269421
Intermediate Similarity 0.7778 NPC45104
Intermediate Similarity 0.7778 NPC195466
Intermediate Similarity 0.7778 NPC476389
Intermediate Similarity 0.777 NPC71903
Intermediate Similarity 0.777 NPC203351
Intermediate Similarity 0.777 NPC79372
Intermediate Similarity 0.777 NPC148374
Intermediate Similarity 0.777 NPC191280
Intermediate Similarity 0.7769 NPC279379
Intermediate Similarity 0.7769 NPC291837
Intermediate Similarity 0.7769 NPC470887
Intermediate Similarity 0.7769 NPC75440
Intermediate Similarity 0.7762 NPC470322
Intermediate Similarity 0.7762 NPC181388
Intermediate Similarity 0.7762 NPC225173
Intermediate Similarity 0.7762 NPC163846
Intermediate Similarity 0.7761 NPC470725
Intermediate Similarity 0.7761 NPC12694
Intermediate Similarity 0.7761 NPC278787
Intermediate Similarity 0.776 NPC53906
Intermediate Similarity 0.7754 NPC470722
Intermediate Similarity 0.7754 NPC156888
Intermediate Similarity 0.7754 NPC281780
Intermediate Similarity 0.7754 NPC301915
Intermediate Similarity 0.7754 NPC261292

Drug Structure

External Identifiers

TTD   DAP000619
DrugBank   DB00573
ChEMBL   CHEMBL1297
IUPHAR/BPS   4820
PharmaGKB   PA449597
KEGG Drug   D00968
PubChem CID   3342
ChEBI   5004
CAS Number  29679-58-1

Drug Properties

Molecular Weight  242.09
ALogP  -0.0991
MLogP  2.78
XLogP  4.628
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  46.53
RO5 Violation  0